CID 732268

300697-12-5

Structural Information

Molecular Formula

C₁₄H₁₉N₅

SMILES

C1CCC2(CC1)N=C(NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C14H19N5/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18,19)

InChIKey

STHMLNPMOYGEJM-UHFFFAOYSA-N

Compound name

4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 257.16403 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.17131	159.6
[M+Na]+	280.15325	164.2
[M-H]-	256.15675	161.6
[M+NH4]+	275.19785	172.5
[M+K]+	296.12719	158.4
[M+H-H2O]+	240.16129	149.1
[M+HCOO]-	302.16223	175.6
[M+CH3COO]-	316.17788	168.3
[M+Na-2H]-	278.13870	166.9
[M]+	257.16348	149.3
[M]-	257.16458	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe